Sugi Predict

Sugi Predict / Compounds / SCHEMBL10162212

SCHEMBL10162212

SCHEMBL10162212

CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc(F)c(OC(F)F)c4)nc4c(F)cnn34)(CC1)CC2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 6/20 0.43
▸ ADAMTS4 O75173 1/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 1/20 0.34
▸ RPS6KA1 Q15418 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GRIN2B Q13224 3/20 0.33
▸ PTGES O14684 2/20 0.33
▸ RORC P51449 1/20 0.32
▸ RET P07949 1/20 0.32
▸ CACNA1G O43497 1/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ CACNA1I Q9P0X4 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10165507 0.93 MMP13 (0.44) MMP13ADAMTS4MMP3ALDH1A1MAPK1
SCHEMBL10165845 0.93 MMP13 (0.44) MMP13ADAMTS4MMP3ALDH1A1MAPK1
SCHEMBL10162200 0.90 MMP13 (0.46) MMP13ADAMTS4MMP3ALDH1A1MAPK1
SCHEMBL10162223 0.90 MMP13 (0.41) MMP13ADAMTS4MMP3ALDH1A1POLB
SCHEMBL10162218 0.89 MMP13 (0.46) MMP13ADAMTS4MMP3ALDH1A1MAPK1
SCHEMBL10162172 0.89 MMP13 (0.37) MMP13ADAMTS4MMP3ALDH1A1MAPK1
SCHEMBL10162260 0.88 MBOAT4 (0.36) MMP13ADAMTS4MMP3ALDH1A1MAPK1
SCHEMBL10162205 0.88 MMP13 (0.46) MMP13ADAMTS4MMP3ALDH1A1MAPK1
SCHEMBL10162209 0.87 MMP13 (0.44) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10162221 0.87 MMP13 (0.43) MMP13ADAMTS4MMP3ALDH1A1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 — — US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 — — US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 — — US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 — — US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 — — US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885ADAMTS4 38/4885MMP3 3/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 MMP13 1/4885ADAMTS4 38/4885MMP3 3/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885ADAMTS4 38/4885MMP3 3/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885ADAMTS4 38/4885MMP3 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.